2-(3-diazo-6-phenylsulfanyl-cyclohexa-1,5-dien-1-yl)ethylphosphonic acid

Systemtic Name: 2-(3-diazo-6-phenylsulfanyl-cyclohexa-1,5-dien-1-yl)ethylphosphonic acid Openeye Name: 2-(3-diazo-6-phenylsulfanyl-cyclohexa-1,5-dien-1-yl)ethylphosphonic acid CAS Name: 2-[3-diazo-6-(phenylthio)-1-cyclohexa-1,5-dienyl]ethylphosphonic acid IUPAC Name: 2-(3-diazo-6-phenylsulfanylcyclohexa-1,5-dien-1-yl)ethylphosphonic acid Traditional Name: 2-[3-diazo-6-(phenylthio)cyclohexa-1,5-dien-1-yl]ethylphosphonic acid Formula: C14H15N2O3PS MolecularWeight: 322.319261

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1=[N+]=[N-])CCP(=O)(O)O)SC2=CC=CC=C2

Isomeric SMILES

C1C=C(C(=CC1=[N+]=[N-])CCP(=O)(O)O)SC2=CC=CC=C2

InChI

InChI=1S/C14H15N2O3PS/c15-16-12-6-7-14(21-13-4-2-1-3-5-13)11(10-12)8-9-20(17,18)19/h1-5,7,10H,6,8-9H2,(H2,17,18,19)